smiles stringlengths 6 131 |
|---|
COc1cc(F)c(C(=O)NCC[C@H]2OCC[C@H]2C)cc1OC |
CC(=O)CCCC(=O)N(C)CC1CCN(C(=O)Cc2ccsc2Br)CC1 |
CC(=O)OC(C)(C)C(=O)N1CCC2(CC1)C[C@H](C)N(C(=O)c1cc(C#N)c[nH]1)C2 |
COC(=O)[C@](C)(O)[C@](C)(O)C(=O)NC[C@H]1CCC2(CCC2)CO1 |
CC1(C(=O)N2CC[C@@H](CO)[C@H](NC(=O)Cn3cc([C@H]4CCOC4)cn3)C2)CCC1 |
CCN1CCN(CCC(=O)NC[C@@]23CC[C@H]2CCN3C(=O)C=CC2CC2)CC1 |
CCc1csc(C(=O)Nc2ccc(NC(=O)c3cc[nH]c3)cc2F)n1 |
Cc1cc(N2CC=C(CNC(=O)[C@@H]3C[C@@H](C)CO3)CC2)n2ncc(C)c2n1 |
CCN(CC1CCN(C(=O)[C@H]2CCOC2(C)C)CC1)C(=O)[C@H]1CCC(=O)N(C)C1 |
CCc1ccc(C(=O)N2CC(C)(NC(=O)[C@H](C)OC[C@H]3CCCCO3)C2)c(F)c1 |
CNc1cccc(C(=O)NC[C@H]2C[C@@H](C(=O)N[C@@H](C)[C@@H]3CCCCO3)C2)n1 |
Cc1cnn(CCC(=O)N2CCC[C@H](C(=O)N3CCC[C@H]3[C@@H](O)CO)CC2)c1 |
CC(=O)NCCC(=O)NCCC1CC(NC(=O)[C@@H]2CCCc3ccccc32)C1 |
COc1ccc(NC(=O)[C@@H](C)NC(=O)C[C@@H]2CCCC(C)(C)O2)cc1 |
Cc1ccnc(C(=O)NC[C@]2(F)CCN(C(=O)c3nccc(Cl)c3O)C2)n1 |
CC1(CNC(=O)[C@H]2COC(=O)N2)CCN(C(=O)C2(C#N)C[C@H]3C[C@@H]3C2)CC1 |
CC1(CCC(=O)N[C@H](CC(F)F)C(=O)N2CCO[C@H](C3(C)N=N3)C2)N=N1 |
COc1ccc(C=CC(=O)N2CC[C@H](C)N(C(=O)CSCCC(C)C)CC2)nc1 |
CO[C@](C)(CO)C(=O)NC[C@]1(C)CCCN1C(=O)c1cccc2c1CC(=O)N2 |
Cc1cc(C(=O)Nc2cccc(NC(=O)[C@@H](C)C3=CCCC3)c2)sc1Cl |
O=C(NCCc1ccc(F)cn1)C12CCC(C(F)(F)F)(CC1)C2 |
CON(C)C(=O)CNC(=NCCF)NC[C@@H]1CCc2ccccc21 |
CN[C@@H](C(=O)NC[C@@H](CO)Cc1ccccc1F)C1CC1 |
CN(CC1=NC=CN1C)C(=O)NC1CCC2(CC1)CC2 |
CC[C@H](F)C(=O)N[C@H](C)C1(O)CCN(C(=O)c2cnc3c(c2)C(=O)CCC3)CC1 |
CN1CCN(C(=O)[C@H](O)CC(C)(C)C)[C@@H](CNC(=O)Cc2cn(C)cn2)C1 |
Cc1oncc1C(=O)N1CCC[C@@]12CCN(C(=O)CC1(C(F)(F)F)CC1)C2 |
C[C@@H]1CN(C(=O)CSC2CC2)C[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)o1 |
CCC1(CC)[C@H](NC[C@]2(c3ccccc3)C[C@@H](F)C2)C[C@H]1OC |
C[C@@H](CCNC(=O)c1cc(C(N)=O)c[nH]1)N(C)C(=O)CCn1cccc1 |
C=C=CCC(=O)N[C@H]1C[C@@](F)(CNC(=O)C2(C(=O)N(C)C(C)C)CC2)C1 |
CC[C@H](CC(=O)NCc1cnc(COC)[nH]1)NC(=O)[C@@H](CN(C)C)C(C)C |
CNC(=O)CCC(=O)NC[C@H](O)CC(=O)N1CC(=O)NC[C@H]1C(N)=O |
C[C@H]1C[C@@H](C(=O)Nc2ccc(Br)nc2Br)N(C(=O)c2ccccc2O)C1 |
CC(C)(CF)NC(=O)Cn1cc(C[C@@H](O)C2CC2)nn1 |
Nc1cc(O)nc(C2CN(C/C=C/c3ccc(OCc4ccccc4)cc3)C2)n1 |
Cn1cccc1C(=O)N[C@@H]1C[C@@H](O)CN(C(=O)c2c[nH]c3c(Cl)cccc23)C1 |
CN1CCN(C2=NC(Br)=CN=C2)CC1C1=CC=CC=C1 |
N#Cc1nc[nH]c1C(=O)NC[C@H](CO)CNC(=O)C[C@@H](NC(N)=O)c1cccs1 |
COc1ccc2[nH]c(C(=O)N(C)[C@@H](C)CNC(=O)c3cnc(O)c(F)c3)cc2c1 |
C=Cn1nccc1C(=O)N1CC2(CC(NC(=O)[C@@H](O)c3cn(C)nc3C)C2)C1 |
Cc1ncc(CNC(=O)c2n[nH]cc2-c2ccccc2C(C)C)cn1 |
Cc1csc2c(N[C@@H]3CC[C@H]4CN(C(=O)C5=COCCC5)C[C@@H]4C3)ncnc12 |
O=C(NC[C@H](NC(=O)[C@@H]1CCC2(CCOCC2)O1)C1CCC1)c1ccnc(O)c1 |
CCn1ncc([N+](=O)[O-])c1C(=O)NCCN(C)C(=O)C1CN(S(N)(=O)=O)C1 |
CCNc1scnc1C(=O)N1CC[C@](CNC(=O)COC(F)F)(C(C)(C)C)C1 |
CC[C@]1(C(=O)N2CCC3(CC2)C[C@@H]3NC(=O)C2(C(=O)NC)CC2)CC[C@@H](O)CC1 |
CCOC1(CCNC(=O)CC(C)(C)NC(=O)[C@@H]2C[C@@]2(C)C(F)F)CCC1 |
CCN(C)CC(=O)N1C[C@@H](CNC(=O)c2nsc3c(Cl)cccc23)CC[C@H]1C |
CNC(=O)Cc1ccccc1NC(=O)C1(c2cccnc2)CCCCC1 |
Cc1cc(N(C)C)ccc1C(=O)N1C[C@H](NC(=O)C2(F)CC2)CC1(C)C |
Nc1ccc(C(=O)N[C@@H]2CCC[C@H](NC(=O)c3ccoc3)CC2)c(Br)c1F |
CCC[C@@H](C(=O)N1CCC(CCCNC(=O)CCP(C)(C)=O)CC1)S(N)(=O)=O |
Cc1ncn(C)c1C(=O)NC[C@@H](C)NC(=O)C[C@H](c1ccccc1)n1cccc1 |
COc1ccsc1C(=O)NC[C@H](O)CN(C)C(=O)CC1(C(F)(F)F)CC1 |
C[C@@H]1CN(CCNC(=O)[C@H]2CN(C(=O)CCc3nc(O)n[nH]3)CC2(F)F)CCO1 |
C=C(Cl)C(C)(C)C(=O)NC1CC2(CCN(C(=O)[C@@H](C)n3cncn3)CC2)C1 |
CC(=O)NCCC(=O)N1C[C@H](F)[C@@H](N(C)C(=O)CC(F)F)C1 |
Cc1ccc(C(=O)N2CC[C@H](CO)[C@@H](NC(=O)[C@H]3CC(=O)N3)CC2)c(O)n1 |
CC1(C)CCN1C(=O)c1cn(CCNC(=O)c2cc[nH]c3nccc2-3)cn1 |
O=C1CC[C@@H](NC(=O)N2CCC[C@H]2c2cc(Cl)cc(Cl)c2)C(=O)N1C1CC1 |
C[C@H](CN(C)C(=O)c1cc(C2CC2)[nH]n1)NC(=O)CN1C(=O)CNC1=O |
CC1(C(=O)N2[C@H]3CC[C@@H]2CC(C(=O)NC[C@@]2(C)CNC(=O)O2)C3)COC1 |
CN(C)c1ccc(C(=O)N2C[C@H]3C[C@H]2CN(C(=O)CN(C)S(C)(=O)=O)C3)nn1 |
CC(C)(C)Oc1cccc(CCC(=O)OCC#Cc2ccc(Cl)cc2)n1 |
CCc1cccc(C(=O)N[C@@H](C)C2(C)CC2)c1N |
C=C[C@@H](O)CNC(=O)CCCCCCNC(=O)[C@@](C)(O)COC |
Cc1nocc1NC(=O)[C@@]1(C)CCN(Cc2ccc(F)cc2C#N)C1 |
C#Cc1ccc(C(=O)N[C@@H]2CC(C(=O)N[C@H]3COC[C@H]3N=[N+]=[N-])=C[C@@H]2O)o1 |
Cc1ncc(NC(=O)CC(C)(C)N(C)C(=O)[C@@H]2CC2(F)F)c(C)c1C |
O=C(NCCCNC(=O)c1cnn2cccnc12)c1cncc(C(F)F)c1 |
COc1ccc(C(=O)NCCC[C@H](C)NC(=O)Cc2cc(C)ns2)c(Cl)c1 |
C[C@@H](C(=O)N(CCNC(=O)CSC(F)(F)F)C1CC1)c1ccco1 |
O=C(COc1cccnc1)N1C[C@H]2[C@H](Nc3nc4cc(F)ccc4o3)[C@H]2C1 |
CCOCCCC(=O)NCC1(Nc2ccnc(Cl)n2)CCC1 |
C[C@H](C(=O)N[C@H]1CCO[C@H]1C(=O)Nc1cc(C#N)ccc1F)[C@H]1CCOC1 |
COCCOc1cc(OC)ccc1C(=O)N[C@H]1C[C@@H]2C[C@H]1C[C@@]2(C)O |
CN(CC1(O)CN(C(=O)CC=C(Cl)Cl)C1)C(=O)[C@@]1(C)C[C@@H]1Br |
C[C@H]1CCC=C1C(=O)N1CC[C@H](NC(=O)c2cc(Cl)ccc2-n2ccnc2)C1 |
CCCc1cc(C(=O)N2C[C@@H](OC)C[C@H]2CCNC(=O)c2cccnc2)c(C)o1 |
CCN(C)CC(=O)N1C[C@@H]2CC(NC(=O)c3ccnc(F)c3Cl)C[C@H]2C1 |
COC(=O)[C@]1(C)CCN(C(=O)C2(O)CCC(C(F)(F)F)CC2)C1 |
O=C(NC[C@@H](NC(=O)c1ncn2c1COCC2)C1CCC1)c1csc([N+](=O)[O-])c1 |
CC(C)(C)CC(C)(C)C(=O)NCC1(NC(=O)[C@H]2CCNc3ccccc32)CC1 |
COC[C@@H](CC(=O)NCc1coc(C)c1)NC(=O)C1(N(C)C)CCC1 |
Cc1ccc2c(c1)[C@@H](C(=O)NCCOCCN(C)C(=O)[C@@H]1CCCCN1N=O)C2 |
CC(C)C[C@H](C)CC(=O)NCCC[C@H](C)NC(=O)Cc1cnsc1 |
CCC[C@H](CNC(=O)c1cn(CCNC(=O)[C@@H]2CN(CC)CCO2)nn1)OC |
CCCC[C@H]1CCN(C(=O)CCCCNC(=O)/C=C/C(C)(C)C)C1 |
CC[C@H](C)[C@H](C(=O)N1CCC(C)(C)[C@H]1CC(=O)N1CCC2(CN(C)C2)C1)N(C)C |
CC(C)(C)[C@@H](CNC(=O)c1nnsc1N)C(=O)Nc1cnc(Cl)nc1 |
C[C@H](CCCC(=O)NCC[C@@]1(C)CC1(F)F)NC(=O)c1ncn(C)n1 |
C[C@H](C(=O)NCCC1(O)CN(C(=O)CCCC2OCCO2)C1)C1CCCC1 |
Cc1ncccc1CC(=O)N1CCN(C[C@H](C)NC(=O)[C@@]2(CF)CC2(F)F)CC1 |
CCC(CC)(CC)C(=O)NCCCc1cn(Cc2nn(C)c3c2CCC3)nn1 |
C[C@H]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CCN(C(=O)c4cccc5cc(O)ccc45)[C@H]32)C1 |
O=C(N[C@@H]1CCC[C@H](CNC(=O)c2ccnn2C2CC2)C1)c1cn2ccsc2n1 |
C=C=C(C)CC(=O)N[C@H](C)[C@@H]1CN(C(=O)c2cncc(-n3cnnn3)c2)CCO1 |
CCCC1(C(=O)NC[C@H](CC(=O)N(C)C[C@H](O)CC)C2CCC2)CC1 |
CN(C)CCOCCC(=O)NCCCCCN(C)C(=O)c1cc(Cl)no1 |
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